(2R)-N-[4-(benzimidazol-1-yl)phenyl]morpholine-2-carboxamide;dihydrochloride

C18H20Cl2N4O2 — CID 126785065

IUPAC(2R)-N-[4-(benzimidazol-1-yl)phenyl]morpholine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(-n2cnc3ccccc32)cc1)[C@H]1CNCCO1
InChIInChI=1S/C18H18N4O2.2ClH/c23-18(17-11-19-9-10-24-17)21-13-5-7-14(8-6-13)22-12-20-15-3-1-2-4-16(15)22;;/h1-8,12,17,19H,9-11H2,(H,21,23);2*1H/t17-;;/m1../s1
InChIKeyDLWNMBOQXUITNA-ZEECNFPPSA-N
MW395.29 g/mol
LogP2.80
Rot. Bonds3

About (2R)-N-[4-(benzimidazol-1-yl)phenyl]morpholine-2-carboxamide;dihydrochloride

(2R)-N-[4-(benzimidazol-1-yl)phenyl]morpholine-2-carboxamide;dihydrochloride (PubChem CID 126785065) has the molecular formula C18H20Cl2N4O2 and a molecular weight of 395.29 g/mol. Its IUPAC name is (2R)-N-[4-(benzimidazol-1-yl)phenyl]morpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-N-[4-(benzimidazol-1-yl)phenyl]morpholine-2-carboxamide;dihydrochloride
PubChem CID126785065
Molecular FormulaC18H20Cl2N4O2
Molecular Weight395.29 g/mol
Exact Mass394.10
IUPAC Name(2R)-N-[4-(benzimidazol-1-yl)phenyl]morpholine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(-n2cnc3ccccc32)cc1)[C@H]1CNCCO1
InChIInChI=1S/C18H18N4O2.2ClH/c23-18(17-11-19-9-10-24-17)21-13-5-7-14(8-6-13)22-12-20-15-3-1-2-4-16(15)22;;/h1-8,12,17,19H,9-11H2,(H,21,23);2*1H/t17-;;/m1../s1
InChIKeyDLWNMBOQXUITNA-ZEECNFPPSA-N
XLogP2.80
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[4-(benzimidazol-1-yl)phenyl]oxolane-2-carboxamide;dihydrochloride
CID 120797183
N-[4-(triazol-1-yl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119762398
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
N-[4-(cyclopropanecarbonylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119700164
N-quinoxalin-6-ylmorpholine-2-carboxamide;hydrochloride
CID 119708415
(1R)-N-[4-(benzimidazol-1-yl)phenyl]cyclohex-3-ene-1-carboxamide
CID 41491419
N-[4-(benzimidazol-1-yl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 46642187
N-[4-(phenylmethoxymethyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119794532
N-(6-bromo-3-pyridinyl)morpholine-2-carboxamide
CID 103813958
N-(6-fluoro-3-pyridinyl)morpholine-2-carboxamide
CID 103808720
N-[4-(benzimidazol-1-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 24512634
N-[4-(phenylmethoxymethyl)phenyl]morpholine-2-carboxamide
CID 119794533

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(benzimidazol-1-yl)phenyl]morpholine-2-carboxamide;dihydrochloride?
The IUPAC name of (2R)-N-[4-(benzimidazol-1-yl)phenyl]morpholine-2-carboxamide;dihydrochloride (CID 126785065) is (2R)-N-[4-(benzimidazol-1-yl)phenyl]morpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2R)-N-[4-(benzimidazol-1-yl)phenyl]morpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2R)-N-[4-(benzimidazol-1-yl)phenyl]morpholine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccc(-n2cnc3ccccc32)cc1)[C@H]1CNCCO1.
What is the InChIKey of (2R)-N-[4-(benzimidazol-1-yl)phenyl]morpholine-2-carboxamide;dihydrochloride?
The InChIKey is DLWNMBOQXUITNA-ZEECNFPPSA-N. The full InChI is InChI=1S/C18H18N4O2.2ClH/c23-18(17-11-19-9-10-24-17)21-13-5-7-14(8-6-13)22-12-20-15-3-1-2-4-16(15)22;;/h1-8,12,17,19H,9-11H2,(H,21,23);2*1H/t17-;;/m1../s1.
What are the key properties of (2R)-N-[4-(benzimidazol-1-yl)phenyl]morpholine-2-carboxamide;dihydrochloride?
(2R)-N-[4-(benzimidazol-1-yl)phenyl]morpholine-2-carboxamide;dihydrochloride has a molecular weight of 395.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(benzimidazol-1-yl)phenyl]morpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 126785065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).